N-(1-adamantyl)-2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-(1-adamantyl)-2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-(1-adamantyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-(1-adamantyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-(1-adamantyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-(1-adamantyl)-2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C26H29ClN2O3S MolecularWeight: 485.03806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29ClN2O3S/c27-24-6-5-22(33(31,32)29-8-7-20-3-1-2-4-21(20)16-29)12-23(24)25(30)28-26-13-17-9-18(14-26)11-19(10-17)15-26/h1-6,12,17-19H,7-11,13-16H2,(H,28,30)